[gmx-users] pressure scaling more than 1%

Mark Abraham Mark.Abraham at anu.edu.au
Mon Oct 2 02:03:07 CEST 2006


james zhang wrote:
> Hi,
>  
> I try to compress a box at a high pressure, but the box alwasys 
> collapsed after several steps.
>  
> And I get the error:  /pressure scaling more than 1%/
>  
> How can I get over this problem.

Probably, doing the pressure increase gradually will help.

Mark



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